1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one

C21H21NO — CID 70926564

IUPAC1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
SMILESCC(NCCC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21NO/c1-16(17-7-3-2-4-8-17)22-14-13-21(23)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15-16,22H,13-14H2,1H3
InChIKeyVYXOZIJQRZWZEJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.76
Rot. Bonds6

About 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one

1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one (PubChem CID 70926564) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
PubChem CID70926564
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one
SMILESCC(NCCC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H21NO/c1-16(17-7-3-2-4-8-17)22-14-13-21(23)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15-16,22H,13-14H2,1H3
InChIKeyVYXOZIJQRZWZEJ-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-yl-4-oxo-N-[(1R)-1-phenylethyl]butanamide
CID 8866306
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
3-(1-phenylethylamino)propanoic acid
CID 2826777
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-[1-(1-aminopropylamino)butylamino]-1-naphthalen-2-ylpropan-1-one
CID 89106619
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one?
The IUPAC name of 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one (CID 70926564) is 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one?
The canonical SMILES for 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one is CC(NCCC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one?
The InChIKey is VYXOZIJQRZWZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16(17-7-3-2-4-8-17)22-14-13-21(23)20-12-11-18-9-5-6-10-19(18)15-20/h2-12,15-16,22H,13-14H2,1H3.
What are the key properties of 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one?
1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one has a molecular weight of 303.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(1-phenylethylamino)propan-1-one is sourced from PubChem (CID 70926564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).